4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]quinoline-3-carbonitrile

Systemtic Name: 4-[[2,4-bis(chloranyl)-5-methoxy-phenyl]amino]-7-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]quinoline-3-carbonitrile Openeye Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridyl]quinoline-3-carbonitrile CAS Name: 4-(2,4-dichloro-5-methoxyanilino)-7-[5-[(4-methyl-1-piperazinyl)methyl]-2-pyridinyl]-3-quinolinecarbonitrile IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-7-[5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-yl]quinoline-3-carbonitrile Traditional Name: 4-(2,4-dichloro-5-methoxy-anilino)-7-[5-[(4-methylpiperazino)methyl]-2-pyridyl]quinoline-3-carbonitrile Formula: C28H26Cl2N6O MolecularWeight: 533.45164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CN=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5Cl)Cl)OC)C#N

Isomeric SMILES

CN1CCN(CC1)CC2=CN=C(C=C2)C3=CC4=NC=C(C(=C4C=C3)NC5=CC(=C(C=C5Cl)Cl)OC)C#N

InChI

InChI=1S/C28H26Cl2N6O/c1-35-7-9-36(10-8-35)17-18-3-6-24(32-15-18)19-4-5-21-25(11-19)33-16-20(14-31)28(21)34-26-13-27(37-2)23(30)12-22(26)29/h3-6,11-13,15-16H,7-10,17H2,1-2H3,(H,33,34)